Molecule structure of Dichloro(4,5-dimethyl-o-phenylenediamine)platinum(II) (CAS NO.40580-75-4):
IUPAC Name: 4,5-Dimethylbenzene-1,2-diamine; platinum(2+); dichloride
Molecular Weight: 402.17828 g/mol
Molecular Formula: C8H12Cl2N2Pt
Boiling Point: 279.6 °C at 760 mmHg
Flash Point: 144.9 °C
Enthalpy of Vaporization: 51.82 kJ/mol
Vapour Pressure: 0.00399 mmHg at 25 °C
log P (octanol-water): -0.23 (none)
Water Solubility: 4670 mg/L
H-Bond Donor: 2
H-Bond Acceptor: 4
Exact Mass: 401.002528
MonoIsotopic Mass: 401.002528
Topological Polar Surface Area: 52
Heavy Atom Count: 13
Complexity: 99.8
Canonical SMILES: CC1=CC(=C(C=C1C)N)N.[Cl-].[Cl-].[Pt+2]
InChI: InChI=1S/C8H12N2.2ClH.Pt/c1-5-3-7(9)8(10)4-6(5)2;;;/h3-4H,9-10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKey of Dichloro(4,5-dimethyl-o-phenylenediamine)platinum(II) (CAS NO.40580-75-4): MFMJXUNLNPLHAO-UHFFFAOYSA-L
1. | mmo-sat 10,200 nmol/L | JMCMAR Journal of Medicinal Chemistry. 23 (1980),459. | ||
2. | ipr-mus LD50:283 mg/kg | CBINA8 Chemico-Biological Interactions. 11 (1975),145. |
Reported in EPA TSCA Inventory.
Poison by intraperitoneal route. Mutation data reported. See also TIN COMPOUNDS. When heated to decomposition it emits toxic fumes of Cl−.
Dichloro(4,5-dimethyl-o-phenylenediamine)platinum(II) (CAS NO.40580-75-4) is also named as Dichloro(4,5-dimethyl-2-phenylenediamine-N,N')platinum(II) ; NSC 215153 ; Platinum (II), dichloro(4,5-dimethyl-o-phenylenediammine) (Z)- ; cis-Dichloro(4,5-dimethyl-o-phenylenediammine)platinum (II) ; Platinum(II), dichloro(4,5-dimethyl-o-phenylenediammine)-, (SP-4-2)- ; Platinum, dichloro(4,5-dimethyl-1,2-benzenediamine-N,N')-, (SP-4-2)- (9CI) .
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